#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtt n SER 2 N 0.00 -0.06 -2.10 1.61 3.41 -1.26 -5.12 113.62 110.10 1qtt n SER 2 Ca 0.00 0.33 -0.03 0.00 -0.26 0.00 0.00 58.87 58.90 1qtt n SER 2 Cb 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1qtt n SER 2 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1qtt n MET 3 N -3.17 -0.99 -2.03 4.33 0.00 -1.26 -5.01 117.12 108.99 1qtt n MET 3 Ca 0.00 1.18 -0.33 0.00 -0.00 0.00 0.00 57.70 58.55 1qtt n MET 3 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 33.22 29.90 1qtt n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qtt s ALA 4 N -1.86 2.71 0.00 -5.12 0.00 -1.26 -5.06 121.76 111.17 1qtt s ALA 4 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1qtt s ALA 4 Cb -0.03 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1qtt s ALA 4 CO 0.34 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1qtt n GLY 5 N -0.88 0.95 3.55 0.00 0.00 -1.26 -5.13 105.19 102.43 1qtt n GLY 5 Ca 0.09 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1qtt n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qtt s GLU 6 N 1.25 0.74 0.05 1.61 2.12 -1.26 -5.17 118.70 118.03 1qtt s GLU 6 Ca 0.00 0.92 -0.12 0.00 0.36 0.00 0.00 54.97 56.13 1qtt s GLU 6 Cb 0.00 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.74 1qtt s GLU 6 CO 0.00 -0.10 0.26 -0.51 -0.54 0.00 0.00 175.26 174.37 1qtt s ASP 7 N 0.49 -0.06 1.19 -1.70 1.01 -1.26 -4.96 116.67 111.39 1qtt s ASP 7 Ca -0.01 -0.28 -0.18 0.00 0.71 0.00 0.00 52.55 52.79 1qtt s ASP 7 Cb -0.05 0.34 0.24 0.00 1.01 0.00 0.00 42.92 44.46 1qtt s ASP 7 CO -0.01 -0.61 0.50 0.52 0.21 0.00 0.00 175.17 175.78 1qtt n VAL 8 N 0.56 0.00 0.06 -1.27 0.31 -1.26 -5.01 118.33 111.72 1qtt n VAL 8 Ca -0.18 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1qtt n VAL 8 Cb 0.60 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1qtt n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qtt n GLY 9 N 2.02 -0.07 3.12 2.92 0.00 -1.26 -5.09 105.19 106.83 1qtt n GLY 9 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1qtt n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qtt s ALA 10 N -2.00 -0.72 1.01 4.61 0.00 -1.26 -5.17 121.76 118.23 1qtt s ALA 10 Ca 0.00 1.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.98 1qtt s ALA 10 Cb 0.00 -0.75 0.20 0.00 0.00 0.00 0.00 23.12 22.57 1qtt s ALA 10 CO 0.00 -0.24 1.18 -1.25 0.00 0.00 0.00 175.76 175.46 1qtt s PRO 11 N 1.35 0.34 -0.97 0.00 0.04 -1.26 -4.92 135.00 129.58 1qtt s PRO 11 Ca -0.09 -0.02 -0.24 0.00 0.04 0.00 0.00 61.00 60.69 1qtt s PRO 11 Cb -0.10 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1qtt s PRO 11 CO -0.10 -2.68 1.70 -1.25 0.04 0.00 0.00 177.00 174.71 1qtt s PRO 12 N -5.50 3.09 0.56 0.56 0.04 -1.26 -4.79 135.00 127.70 1qtt s PRO 12 Ca 0.69 -0.74 0.47 0.00 0.04 0.00 0.00 61.00 61.46 1qtt s PRO 12 Cb -0.10 -5.22 1.67 0.00 0.04 0.00 0.00 34.50 30.89 1qtt s PRO 12 CO 0.54 -2.79 1.61 0.22 0.04 0.00 0.00 177.00 176.62 1qtt h ASP 13 N 10.48 0.00 -4.94 6.66 -0.00 -1.95 -3.39 116.42 123.28 1qtt h ASP 13 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 57.06 1qtt h ASP 13 Cb 1.00 0.00 -0.20 0.00 -0.00 0.00 0.00 39.33 40.13 1qtt h ASP 13 CO 1.32 0.00 -0.35 -1.38 -0.00 0.00 0.00 179.24 178.84 1qtt s HIS 14 N -4.86 -0.12 0.05 0.28 -3.43 -1.26 0.14 115.29 106.10 1qtt s HIS 14 Ca -0.05 0.16 0.05 0.00 -0.80 0.00 0.00 55.06 54.42 1qtt s HIS 14 Cb 0.25 0.05 -0.03 0.00 -1.43 0.00 0.00 32.58 31.43 1qtt s HIS 14 CO 0.86 -0.35 -0.13 -0.51 -2.00 0.00 0.00 174.74 172.60 1qtt s LEU 15 N -1.29 2.23 -0.15 5.38 1.43 -1.14 -3.80 118.68 121.34 1qtt s LEU 15 Ca -0.13 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1qtt s LEU 15 Cb -0.06 -0.52 0.04 0.00 0.03 0.00 0.00 46.19 45.69 1qtt s LEU 15 CO 0.03 -0.04 -0.01 0.26 0.23 0.00 0.00 176.35 176.82 1qtt s TRP 16 N -1.09 1.18 -0.11 0.29 0.51 0.16 -2.16 118.94 117.71 1qtt s TRP 16 Ca -0.01 -0.73 -0.30 0.00 -2.12 0.00 0.00 56.10 52.94 1qtt s TRP 16 Cb -0.09 -1.07 -0.03 0.00 -0.81 0.00 0.00 33.47 31.47 1qtt s TRP 16 CO 0.02 -0.53 1.29 0.54 -0.51 0.00 0.00 176.95 177.76 1qtt s VAL 17 N 1.81 4.16 -0.04 4.03 0.11 -1.05 0.18 120.40 129.59 1qtt s VAL 17 Ca 0.02 1.44 0.01 0.00 -2.93 0.00 0.00 61.98 60.52 1qtt s VAL 17 Cb -0.15 -3.93 -0.03 0.00 -1.53 0.00 0.00 36.38 30.75 1qtt s VAL 17 CO -0.07 -0.08 -0.02 1.57 -3.33 0.00 0.00 175.10 173.17 1qtt n HIS 18 N 6.18 0.00 -4.33 1.54 -0.00 -0.98 -4.95 115.22 112.68 1qtt n HIS 18 Ca 0.13 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.14 1qtt n HIS 18 Cb 0.45 -0.15 -0.10 0.00 -0.12 0.00 0.00 29.99 30.07 1qtt n HIS 18 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1qtt s GLN 19 N -2.08 1.29 -0.30 1.57 -0.21 -1.23 -3.64 119.66 115.06 1qtt s GLN 19 Ca -0.04 -1.59 -0.36 0.00 0.02 0.00 0.00 55.36 53.39 1qtt s GLN 19 Cb 0.01 -0.92 -0.13 0.00 1.00 0.00 0.00 33.01 32.98 1qtt s GLN 19 CO 0.10 0.09 2.04 0.39 -2.12 0.00 0.00 175.29 175.79 1qtt n GLU 20 N -0.37 1.24 -1.59 2.91 1.02 -1.26 0.15 120.64 122.75 1qtt n GLU 20 Ca -0.08 0.39 -0.15 0.00 -0.02 0.00 0.00 57.16 57.31 1qtt n GLU 20 Cb 0.61 -2.39 -0.05 0.00 -0.02 0.00 0.00 31.44 29.59 1qtt n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qtt n GLY 21 N 5.69 1.18 3.32 0.62 0.00 -1.26 -4.92 105.19 109.83 1qtt n GLY 21 Ca 0.35 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1qtt n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 22 N -2.58 2.12 0.05 -0.61 1.09 0.40 0.28 121.20 121.95 1qtt s ILE 22 Ca 0.00 -1.11 0.02 0.00 -1.10 0.00 0.00 60.65 58.46 1qtt s ILE 22 Cb 0.00 -1.74 -0.03 0.00 -1.06 0.00 0.00 42.46 39.63 1qtt s ILE 22 CO 0.00 0.56 -0.07 -0.31 -0.10 0.00 0.00 174.94 175.02 1qtt s TYR 23 N -0.64 0.69 -0.13 3.97 2.02 0.40 -2.32 117.35 121.33 1qtt s TYR 23 Ca 0.10 -0.60 -0.02 0.00 -0.37 0.00 0.00 57.07 56.18 1qtt s TYR 23 Cb -0.10 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 1qtt s TYR 23 CO -0.01 -0.11 -0.06 0.50 -1.57 0.00 0.00 175.55 174.30 1qtt s ARG 24 N -2.08 3.38 0.68 -0.62 3.52 0.47 0.22 118.95 124.51 1qtt s ARG 24 Ca -0.06 -0.55 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 1qtt s ARG 24 Cb -0.06 -2.78 0.16 0.00 -1.56 0.00 0.00 34.95 30.70 1qtt s ARG 24 CO -0.01 0.36 0.93 -3.47 -0.81 0.00 0.00 175.30 172.29 1qtt n ASP 25 N 3.16 0.11 -1.57 -2.12 4.64 0.53 -0.67 116.55 120.63 1qtt n ASP 25 Ca -0.18 -1.36 0.06 0.00 -1.38 0.00 0.00 54.79 51.93 1qtt n ASP 25 Cb 0.53 -0.70 0.32 0.00 -1.04 0.00 0.00 41.12 40.22 1qtt n ASP 25 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 1qtt n GLU 26 N -2.95 3.98 -1.52 -0.67 0.28 -1.25 -3.96 120.64 114.55 1qtt n GLU 26 Ca 0.12 -2.49 0.00 0.00 -0.16 0.00 0.00 57.16 54.63 1qtt n GLU 26 Cb 0.41 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.22 1qtt n GLU 26 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1qtt n TYR 27 N 0.56 0.02 -3.23 -1.84 4.01 -1.26 -4.98 117.16 110.44 1qtt n TYR 27 Ca 0.22 -0.69 -0.16 0.00 -0.16 0.00 0.00 57.90 57.11 1qtt n TYR 27 Cb 0.97 0.09 0.06 0.00 -0.31 0.00 0.00 39.34 40.15 1qtt n TYR 27 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1qtt n GLN 28 N 0.18 -5.50 -4.00 -0.72 6.02 -1.25 -5.00 117.38 107.10 1qtt n GLN 28 Ca -0.04 0.59 -0.34 0.00 -0.01 0.00 0.00 57.00 57.20 1qtt n GLN 28 Cb 0.98 -4.90 -0.15 0.00 1.02 0.00 0.00 30.24 27.20 1qtt n GLN 28 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1qtt s ARG 29 N -5.77 2.85 0.35 -1.09 3.00 -1.26 -4.92 118.95 112.11 1qtt s ARG 29 Ca 0.35 -0.96 -0.25 0.00 0.00 0.00 0.00 55.73 54.87 1qtt s ARG 29 Cb -0.15 -2.89 -0.10 0.00 0.00 0.00 0.00 34.95 31.81 1qtt s ARG 29 CO 0.52 -0.36 0.96 0.95 0.00 0.00 0.00 175.30 177.36 1qtt s THR 30 N 1.31 4.17 0.03 0.02 -4.23 -1.26 0.20 115.64 115.88 1qtt s THR 30 Ca 0.01 1.72 0.04 0.00 -1.18 0.00 0.00 61.69 62.28 1qtt s THR 30 Cb -0.16 -3.91 -0.02 0.00 1.34 0.00 0.00 72.50 69.75 1qtt s THR 30 CO -0.06 0.06 -0.13 0.26 -0.54 0.00 0.00 174.62 174.21 1qtt s TRP 31 N -1.70 1.15 -0.61 3.99 0.52 0.61 -2.73 118.94 120.18 1qtt s TRP 31 Ca 0.53 -0.34 -0.03 0.00 0.02 0.00 0.00 56.10 56.28 1qtt s TRP 31 Cb -0.18 -0.69 0.16 0.00 -1.15 0.00 0.00 33.47 31.61 1qtt s TRP 31 CO 0.23 0.02 0.42 0.08 0.02 0.00 0.00 176.95 177.72 1qtt s VAL 32 N -0.80 3.66 -0.53 4.03 1.01 0.89 0.15 120.40 128.82 1qtt s VAL 32 Ca 0.01 -2.89 -0.28 0.00 0.00 0.00 0.00 61.98 58.82 1qtt s VAL 32 Cb -0.07 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1qtt s VAL 32 CO 0.01 -0.86 1.54 0.00 0.00 0.00 0.00 175.10 175.79 1qtt s ALA 33 N 0.03 2.73 -1.22 5.51 0.00 0.80 -1.59 121.76 128.02 1qtt s ALA 33 Ca 0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1qtt s ALA 33 Cb -0.21 -4.11 0.19 0.00 0.00 0.00 0.00 23.12 18.99 1qtt s ALA 33 CO -0.03 -3.01 1.54 0.28 0.00 0.00 0.00 175.76 174.53 1qtt n VAL 34 N 7.01 4.38 -1.39 0.00 0.31 0.46 -4.34 118.33 124.76 1qtt n VAL 34 Ca 0.15 -4.76 -0.57 0.00 -0.01 0.00 0.00 64.34 59.15 1qtt n VAL 34 Cb 0.49 -2.42 -0.10 0.00 -0.91 0.00 0.00 33.84 30.90 1qtt n VAL 34 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1qtt n VAL 35 N 3.85 0.09 -3.88 2.52 3.14 -1.26 -3.14 118.33 119.64 1qtt n VAL 35 Ca 0.36 -0.09 -0.30 0.00 -2.96 0.00 0.00 64.34 61.34 1qtt n VAL 35 Cb 0.40 -0.96 -0.14 0.00 -1.06 0.00 0.00 33.84 32.08 1qtt n VAL 35 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1qtt s GLU 36 N 5.69 1.55 -0.06 1.45 0.41 0.48 -4.96 118.70 123.27 1qtt s GLU 36 Ca 1.14 -2.13 -0.32 0.00 -0.41 0.00 0.00 54.97 53.24 1qtt s GLU 36 Cb -1.24 -2.90 -0.10 0.00 -1.78 0.00 0.00 34.13 28.10 1qtt s GLU 36 CO 0.61 -1.07 1.96 -0.85 -0.49 0.00 0.00 175.26 175.42 1qtt n GLU 37 N 3.67 2.38 -1.34 1.61 0.28 -1.26 -2.98 120.64 122.99 1qtt n GLU 37 Ca 0.05 0.85 -0.30 0.00 -0.16 0.00 0.00 57.16 57.60 1qtt n GLU 37 Cb 0.36 -2.83 0.10 0.00 1.43 0.00 0.00 31.44 30.50 1qtt n GLU 37 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1qtt s GLU 38 N 4.53 1.98 0.44 3.44 0.41 0.17 -4.89 118.70 124.78 1qtt s GLU 38 Ca 0.93 0.91 0.25 0.00 -0.41 0.00 0.00 54.97 56.65 1qtt s GLU 38 Cb -0.57 -1.88 1.27 0.00 -1.78 0.00 0.00 34.13 31.17 1qtt s GLU 38 CO 0.47 -1.77 1.76 1.15 -0.49 0.00 0.00 175.26 176.38 1qtt h THR 39 N -1.21 0.43 -0.08 3.63 2.02 -2.01 -3.03 112.91 112.67 1qtt h THR 39 Ca -0.46 -0.08 -0.18 0.00 0.77 0.00 0.00 66.41 66.46 1qtt h THR 39 Cb 1.25 0.17 -0.21 0.00 -1.74 0.00 0.00 68.15 67.62 1qtt h THR 39 CO 0.55 0.04 -0.49 -0.24 0.37 0.00 0.00 175.52 175.75 1qtt n SER 40 N -4.51 -0.63 -2.28 4.18 2.88 -1.26 -5.13 113.62 106.87 1qtt n SER 40 Ca 0.27 -2.12 -0.05 0.00 -1.33 0.00 0.00 58.87 55.64 1qtt n SER 40 Cb 1.06 0.32 0.02 0.00 -0.75 0.00 0.00 64.21 64.86 1qtt n SER 40 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1qtt n PHE 41 N -0.93 -1.72 -4.77 0.66 3.72 -1.15 -5.04 117.46 108.22 1qtt n PHE 41 Ca -0.14 -1.15 -0.32 0.00 -0.05 0.00 0.00 57.45 55.79 1qtt n PHE 41 Cb 0.85 0.57 -0.13 0.00 -0.94 0.00 0.00 39.48 39.84 1qtt n PHE 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qtt s LEU 42 N 0.00 2.77 -0.21 4.37 1.02 -1.20 0.44 118.68 125.87 1qtt s LEU 42 Ca 0.12 -0.24 -0.05 0.00 0.02 0.00 0.00 54.13 53.97 1qtt s LEU 42 Cb -0.03 -1.59 0.10 0.00 0.02 0.00 0.00 46.19 44.70 1qtt s LEU 42 CO 0.07 0.31 0.40 -0.60 0.02 0.00 0.00 176.35 176.55 1qtt s ARG 43 N -1.01 0.32 -0.48 1.70 3.52 -1.16 -2.08 118.95 119.76 1qtt s ARG 43 Ca 0.13 0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 56.60 1qtt s ARG 43 Cb -0.11 0.08 0.13 0.00 -1.56 0.00 0.00 34.95 33.49 1qtt s ARG 43 CO 0.03 -0.37 0.26 0.00 -0.81 0.00 0.00 175.30 174.41 1qtt s ALA 44 N 2.58 3.27 -0.45 6.12 0.00 0.29 0.18 121.76 133.76 1qtt s ALA 44 Ca 0.03 -2.86 -0.28 0.00 0.00 0.00 0.00 51.96 48.85 1qtt s ALA 44 Cb -0.13 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1qtt s ALA 44 CO -0.13 -1.91 1.74 0.50 0.00 0.00 0.00 175.76 175.96 1qtt s ARG 45 N 0.55 3.12 -0.53 0.00 3.52 -1.19 -2.11 118.95 122.31 1qtt s ARG 45 Ca 0.12 1.01 -0.20 0.00 -0.13 0.00 0.00 55.73 56.54 1qtt s ARG 45 Cb -0.22 -4.23 0.07 0.00 -1.56 0.00 0.00 34.95 29.00 1qtt s ARG 45 CO -0.04 -2.12 0.68 0.08 -0.81 0.00 0.00 175.30 173.08 1qtt s VAL 46 N 7.39 4.81 -0.15 7.11 1.01 0.97 0.17 120.40 141.71 1qtt s VAL 46 Ca 0.71 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1qtt s VAL 46 Cb -0.17 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1qtt s VAL 46 CO 0.28 -0.92 0.04 -1.58 0.00 0.00 0.00 175.10 172.92 1qtt s GLN 47 N 2.79 3.66 -0.20 2.72 0.74 -0.62 0.28 119.66 129.02 1qtt s GLN 47 Ca 0.16 -0.37 -0.22 0.00 0.05 0.00 0.00 55.36 54.98 1qtt s GLN 47 Cb -0.20 -3.06 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 1qtt s GLN 47 CO 0.11 0.41 0.68 -1.14 -0.55 0.00 0.00 175.29 174.81 1qtt s GLN 48 N -0.04 4.22 0.16 1.67 2.00 0.44 0.30 119.66 128.41 1qtt s GLN 48 Ca 0.05 0.71 -0.09 0.00 -2.00 0.00 0.00 55.36 54.04 1qtt s GLN 48 Cb -0.12 -3.59 -0.01 0.00 0.80 0.00 0.00 33.01 30.09 1qtt s GLN 48 CO 0.01 -0.30 0.28 0.96 -0.50 0.00 0.00 175.29 175.75 1qtt s ILE 49 N 2.09 0.07 -1.23 -2.34 -0.00 -1.10 -3.77 121.20 114.90 1qtt s ILE 49 Ca 0.31 -1.39 -0.13 0.00 -0.00 0.00 0.00 60.65 59.44 1qtt s ILE 49 Cb -0.16 -1.84 0.16 0.00 -0.00 0.00 0.00 42.46 40.63 1qtt s ILE 49 CO 0.10 -0.30 1.56 0.00 -0.00 0.00 0.00 174.94 176.30 1qtt n GLN 50 N -0.21 3.40 -4.92 0.37 3.00 -1.26 -4.27 117.38 113.49 1qtt n GLN 50 Ca -0.07 -3.74 -0.33 0.00 -0.01 0.00 0.00 57.00 52.85 1qtt n GLN 50 Cb 0.63 -3.05 -0.15 0.00 0.00 0.00 0.00 30.24 27.67 1qtt n GLN 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1qtt s VAL 51 N 1.50 2.78 0.91 5.09 -7.23 -1.26 -5.12 120.40 117.07 1qtt s VAL 51 Ca 0.43 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.71 1qtt s VAL 51 Cb 0.00 -2.13 0.14 0.00 0.56 0.00 0.00 36.38 34.95 1qtt s VAL 51 CO 0.01 0.54 1.14 -2.16 -0.31 0.00 0.00 175.10 174.32 1qtt s PRO 52 N 0.20 1.17 0.03 4.82 0.04 -1.26 -4.86 135.00 135.15 1qtt s PRO 52 Ca -0.10 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.27 1qtt s PRO 52 Cb -0.16 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1qtt s PRO 52 CO 0.06 -2.18 -0.09 -0.51 0.04 0.00 0.00 177.00 174.32 1qtt s LEU 53 N -6.02 2.18 0.00 -3.56 1.02 -1.26 -5.03 118.68 106.01 1qtt s LEU 53 Ca 0.64 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.36 1qtt s LEU 53 Cb -0.15 -0.34 0.00 0.00 0.02 0.00 0.00 46.19 45.73 1qtt s LEU 53 CO 0.53 -0.07 0.92 0.61 0.02 0.00 0.00 176.35 178.37 1qtt n GLY 54 N 1.89 0.47 3.15 -3.19 0.00 -1.26 -5.07 105.19 101.18 1qtt n GLY 54 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 1qtt n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qtt s ASP 55 N -0.90 -0.85 -0.49 1.61 1.11 -1.26 -5.03 116.67 110.85 1qtt s ASP 55 Ca 0.00 0.25 0.03 0.00 0.18 0.00 0.00 52.55 53.00 1qtt s ASP 55 Cb 0.00 1.60 0.49 0.00 1.07 0.00 0.00 42.92 46.08 1qtt s ASP 55 CO 0.00 -0.16 1.74 0.00 1.18 0.00 0.00 175.17 177.93 1qtt n ALA 56 N 5.32 5.63 -1.00 5.23 0.00 -1.24 -4.07 120.51 130.38 1qtt n ALA 56 Ca 0.03 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.05 1qtt n ALA 56 Cb 0.55 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1qtt n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qtt n ALA 57 N -0.94 0.00 -2.97 0.00 0.00 -1.26 -5.01 120.51 110.34 1qtt n ALA 57 Ca 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.81 1qtt n ALA 57 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.38 1qtt n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qtt n ARG 58 N 0.00 1.35 0.00 0.00 1.74 -1.26 -4.92 116.66 113.57 1qtt n ARG 58 Ca 0.00 -3.53 0.00 0.00 -0.77 0.00 0.00 57.85 53.55 1qtt n ARG 58 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 1qtt n ARG 58 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qtt n PRO 59 N 0.09 0.00 0.28 5.56 -0.04 -1.26 -3.45 135.00 136.18 1qtt n PRO 59 Ca 0.21 0.35 0.18 0.00 -0.04 0.00 0.00 63.50 64.21 1qtt n PRO 59 Cb 0.69 -0.98 0.77 0.00 -0.04 0.00 0.00 33.50 33.94 1qtt n PRO 59 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1qtt h SER 60 N 0.00 0.00 -0.82 3.54 0.87 -1.94 -0.29 113.55 114.90 1qtt h SER 60 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1qtt h SER 60 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1qtt h SER 60 CO 0.00 0.00 0.51 0.45 -0.53 0.00 0.00 176.83 177.26 1qtt h HIS 61 N 0.00 0.95 0.00 2.24 3.86 -1.92 0.48 115.15 120.76 1qtt h HIS 61 Ca 0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1qtt h HIS 61 Cb 0.42 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1qtt h HIS 61 CO 0.00 0.50 -1.69 1.28 0.86 0.00 0.00 177.93 178.88 1qtt n LEU 62 N -4.62 0.35 0.17 2.43 4.77 -1.02 -3.18 117.00 115.90 1qtt n LEU 62 Ca 0.11 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 1qtt n LEU 62 Cb 0.15 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1qtt n LEU 62 CO 0.32 0.03 0.30 0.25 -1.33 0.00 0.00 177.39 176.95 1qtt h LEU 63 N 0.00 -0.40 0.59 2.23 5.85 -0.47 -3.37 115.31 119.74 1qtt h LEU 63 Ca -0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1qtt h LEU 63 Cb 1.23 0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.37 1qtt h LEU 63 CO 0.01 -0.15 -0.28 0.74 -0.34 0.00 0.00 178.44 178.41 1qtt h THR 64 N -0.74 0.00 -3.65 1.05 2.02 -0.27 -3.48 112.91 107.84 1qtt h THR 64 Ca -0.05 -0.17 -0.22 0.00 0.77 0.00 0.00 66.41 66.75 1qtt h THR 64 Cb 0.36 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 66.85 1qtt h THR 64 CO 0.08 0.00 -0.37 -1.54 0.37 0.00 0.00 175.52 174.06 1qtt n SER 65 N -4.57 -4.42 0.07 4.18 3.41 -1.19 -4.92 113.62 106.18 1qtt n SER 65 Ca -0.10 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1qtt n SER 65 Cb 0.31 -3.00 0.00 0.00 -0.26 0.00 0.00 64.21 61.26 1qtt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qtt n GLN 66 N -2.98 0.00 -2.23 4.33 6.02 -1.26 -5.07 117.38 116.19 1qtt n GLN 66 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 1qtt n GLN 66 Cb 0.53 -0.20 -0.02 0.00 1.02 0.00 0.00 30.24 31.57 1qtt n GLN 66 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qtt s LEU 67 N -6.48 4.32 0.83 1.08 1.02 -1.26 -5.01 118.68 113.17 1qtt s LEU 67 Ca 0.00 2.48 -0.12 0.00 0.02 0.00 0.00 54.13 56.52 1qtt s LEU 67 Cb 0.00 -3.84 0.09 0.00 0.02 0.00 0.00 46.19 42.46 1qtt s LEU 67 CO 0.00 -0.59 1.11 -2.16 0.02 0.00 0.00 176.35 174.73 1qtt s PRO 68 N -2.02 1.79 0.50 1.29 0.04 -1.26 -4.95 135.00 130.39 1qtt s PRO 68 Ca 0.53 0.53 0.29 0.00 0.04 0.00 0.00 61.00 62.39 1qtt s PRO 68 Cb -0.35 -1.89 0.96 0.00 0.04 0.00 0.00 34.50 33.26 1qtt s PRO 68 CO 0.45 -1.80 1.84 1.25 0.04 0.00 0.00 177.00 178.77 1qtt h LEU 69 N -1.22 0.00 -7.03 -3.56 7.12 -1.95 -3.44 115.31 105.24 1qtt h LEU 69 Ca -0.48 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.48 1qtt h LEU 69 Cb 1.29 0.00 -0.21 0.00 -0.53 0.00 0.00 40.66 41.21 1qtt h LEU 69 CO 0.60 0.04 0.11 -0.32 -0.13 0.00 0.00 178.44 178.74 1qtt s MET 70 N -3.51 0.83 0.22 1.25 1.75 -1.26 -2.54 119.30 116.05 1qtt s MET 70 Ca 0.03 0.89 0.07 0.00 -1.25 0.00 0.00 55.69 55.42 1qtt s MET 70 Cb 0.08 0.40 -0.04 0.00 2.84 0.00 0.00 34.83 38.12 1qtt s MET 70 CO 0.60 -0.12 0.15 -1.58 -0.65 0.00 0.00 175.02 173.42 1qtt s TRP 71 N 0.21 3.08 -0.27 4.11 0.51 -0.92 -3.60 118.94 122.06 1qtt s TRP 71 Ca -0.01 -0.09 -0.04 0.00 -2.12 0.00 0.00 56.10 53.84 1qtt s TRP 71 Cb -0.04 -1.42 0.09 0.00 -0.81 0.00 0.00 33.47 31.29 1qtt s TRP 71 CO 0.02 0.53 0.12 -1.14 -0.51 0.00 0.00 176.95 175.97 1qtt s GLN 72 N -3.55 0.19 -0.19 4.98 2.00 0.88 -2.89 119.66 121.08 1qtt s GLN 72 Ca 0.32 -0.47 -0.39 0.00 -2.00 0.00 0.00 55.36 52.81 1qtt s GLN 72 Cb -0.08 -1.32 -0.16 0.00 0.80 0.00 0.00 33.01 32.25 1qtt s GLN 72 CO 0.24 -0.95 1.66 -0.11 -0.50 0.00 0.00 175.29 175.63 1qtt n LEU 73 N 5.24 2.28 -4.64 3.68 7.94 0.37 0.61 117.00 132.48 1qtt n LEU 73 Ca -0.06 1.08 -0.29 0.00 -1.11 0.00 0.00 56.01 55.63 1qtt n LEU 73 Cb 0.43 -1.16 -0.09 0.00 0.53 0.00 0.00 43.42 43.13 1qtt n LEU 73 CO 0.05 -0.55 -0.26 -0.47 -1.11 0.00 0.00 177.39 175.06 1qtt s TYR 74 N 2.89 2.05 0.83 1.96 5.04 0.90 -4.79 117.35 126.24 1qtt s TYR 74 Ca 0.95 -0.93 -0.12 0.00 -2.44 0.00 0.00 57.07 54.53 1qtt s TYR 74 Cb -1.03 -1.54 0.09 0.00 0.35 0.00 0.00 41.96 39.83 1qtt s TYR 74 CO 0.61 0.17 1.11 -1.25 -1.34 0.00 0.00 175.55 174.85 1qtt s PRO 75 N -3.80 1.79 0.00 4.97 0.04 -1.26 -3.38 135.00 133.35 1qtt s PRO 75 Ca 0.21 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1qtt s PRO 75 Cb 0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1qtt s PRO 75 CO 0.11 -1.80 0.00 -1.91 0.04 0.00 0.00 177.00 173.44 1qtt n GLU 76 N -3.54 0.00 -3.11 4.56 2.13 -1.26 -3.71 120.64 115.71 1qtt n GLU 76 Ca 0.07 0.14 -0.14 0.00 0.66 0.00 0.00 57.16 57.89 1qtt n GLU 76 Cb 0.57 -3.15 0.07 0.00 0.27 0.00 0.00 31.44 29.20 1qtt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qtt n GLU 77 N -2.96 -4.30 -3.79 5.31 2.13 -1.25 -4.95 120.64 110.83 1qtt n GLU 77 Ca 0.00 0.71 -0.11 0.00 0.66 0.00 0.00 57.16 58.43 1qtt n GLU 77 Cb 0.00 -5.24 -0.07 0.00 0.27 0.00 0.00 31.44 26.39 1qtt n GLU 77 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1qtt s ARG 78 N -4.81 0.79 -0.20 5.31 0.52 -1.22 -2.49 118.95 116.86 1qtt s ARG 78 Ca 0.13 -0.61 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1qtt s ARG 78 Cb -0.02 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.76 1qtt s ARG 78 CO 0.61 -0.25 0.03 0.71 0.02 0.00 0.00 175.30 176.42 1qtt s TYR 79 N -2.80 3.12 -0.31 -0.53 1.51 0.36 -0.07 117.35 118.64 1qtt s TYR 79 Ca -0.03 -0.23 -0.13 0.00 -1.01 0.00 0.00 57.07 55.67 1qtt s TYR 79 Cb 0.00 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1qtt s TYR 79 CO -0.05 -0.10 0.25 1.41 -1.11 0.00 0.00 175.55 175.95 1qtt s MET 80 N 0.83 3.73 0.19 -0.62 -2.45 0.20 0.13 119.30 121.31 1qtt s MET 80 Ca 0.02 -0.43 -0.02 0.00 -1.25 0.00 0.00 55.69 54.01 1qtt s MET 80 Cb -0.14 -3.74 0.04 0.00 1.25 0.00 0.00 34.83 32.25 1qtt s MET 80 CO 0.02 -0.34 0.26 -0.40 1.05 0.00 0.00 175.02 175.61 1qtt n ASP 81 N 5.15 0.14 -0.36 1.11 5.68 -0.36 -0.09 116.55 127.82 1qtt n ASP 81 Ca -0.12 -1.17 0.05 0.00 -0.50 0.00 0.00 54.79 53.05 1qtt n ASP 81 Cb 0.51 -0.18 0.03 0.00 -1.14 0.00 0.00 41.12 40.33 1qtt n ASP 81 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1qtt n ASN 82 N -3.09 1.64 -0.00 -1.12 5.15 -1.24 -4.33 115.26 112.26 1qtt n ASN 82 Ca 0.04 -1.32 0.15 0.00 -0.60 0.00 0.00 54.58 52.85 1qtt n ASN 82 Cb 0.13 0.18 0.81 0.00 -0.53 0.00 0.00 39.78 40.37 1qtt n ASN 82 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qtt n ASN 83 N 0.27 0.00 -0.16 1.20 5.15 -1.26 -4.85 115.26 115.62 1qtt n ASN 83 Ca 0.06 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 1qtt n ASN 83 Cb 0.25 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1qtt n ASN 83 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1qtt n SER 84 N -1.21 -0.80 -3.86 1.20 2.88 -1.26 -5.09 113.62 105.48 1qtt n SER 84 Ca 0.17 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.60 1qtt n SER 84 Cb 0.21 -0.25 -0.10 0.00 -0.75 0.00 0.00 64.21 63.32 1qtt n SER 84 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1qtt s ARG 85 N -2.46 0.42 -0.21 -1.46 0.52 -1.26 -5.06 118.95 109.45 1qtt s ARG 85 Ca 0.00 -0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1qtt s ARG 85 Cb 0.00 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.65 1qtt s ARG 85 CO 0.00 -0.10 -0.10 -1.17 0.02 0.00 0.00 175.30 173.95 1qtt s LEU 86 N -1.09 2.62 0.08 2.53 0.20 -1.26 -1.23 118.68 120.53 1qtt s LEU 86 Ca -0.12 -0.50 -0.15 0.00 0.69 0.00 0.00 54.13 54.06 1qtt s LEU 86 Cb -0.06 -1.64 -0.06 0.00 -0.43 0.00 0.00 46.19 43.99 1qtt s LEU 86 CO 0.01 -0.01 0.49 0.26 -0.29 0.00 0.00 176.35 176.81 1qtt s TRP 87 N 1.41 3.68 -0.23 5.38 0.52 0.36 -4.19 118.94 125.87 1qtt s TRP 87 Ca 0.05 1.05 -0.13 0.00 0.02 0.00 0.00 56.10 57.10 1qtt s TRP 87 Cb -0.14 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1qtt s TRP 87 CO -0.07 0.54 0.28 -1.14 0.02 0.00 0.00 176.95 176.57 1qtt s GLN 88 N -1.53 4.10 -0.90 4.98 0.74 1.02 0.14 119.66 128.21 1qtt s GLN 88 Ca 0.31 -0.06 -0.26 0.00 0.05 0.00 0.00 55.36 55.41 1qtt s GLN 88 Cb -0.16 -3.56 -0.14 0.00 1.10 0.00 0.00 33.01 30.25 1qtt s GLN 88 CO 0.17 -0.02 2.23 0.42 -0.55 0.00 0.00 175.29 177.54 1qtt s ILE 89 N 1.29 3.13 0.23 -2.34 -1.09 -1.04 0.14 121.20 121.53 1qtt s ILE 89 Ca 0.13 -0.15 -0.07 0.00 -2.23 0.00 0.00 60.65 58.33 1qtt s ILE 89 Cb -0.14 -3.52 0.23 0.00 -1.58 0.00 0.00 42.46 37.45 1qtt s ILE 89 CO 0.07 -0.27 1.66 1.56 -1.23 0.00 0.00 174.94 176.73 1qtt h GLN 90 N 11.99 0.17 -1.36 2.79 1.08 -0.15 -3.44 115.11 126.18 1qtt h GLN 90 Ca 0.04 -0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.36 1qtt h GLN 90 Cb 1.00 -0.04 -0.27 0.00 -0.05 0.00 0.00 27.48 28.12 1qtt h GLN 90 CO 1.06 0.11 0.67 -3.38 -0.95 0.00 0.00 178.83 176.35 1qtt s HIS 91 N -6.10 -0.27 -0.16 2.96 -3.43 -1.20 -4.96 115.29 102.14 1qtt s HIS 91 Ca -0.13 0.56 -0.05 0.00 -0.80 0.00 0.00 55.06 54.65 1qtt s HIS 91 Cb 0.21 0.44 0.06 0.00 -1.43 0.00 0.00 32.58 31.85 1qtt s HIS 91 CO 0.75 -0.18 0.09 -1.58 -2.00 0.00 0.00 174.74 171.82 1qtt s HIS 92 N -0.44 0.19 0.00 0.38 2.46 -1.26 0.91 115.29 117.53 1qtt s HIS 92 Ca 0.04 -0.26 0.00 0.00 0.47 0.00 0.00 55.06 55.30 1qtt s HIS 92 Cb -0.03 -0.67 0.00 0.00 -0.13 0.00 0.00 32.58 31.75 1qtt s HIS 92 CO -0.06 -0.48 0.00 1.47 -2.47 0.00 0.00 174.74 173.19 1qtt n LEU 93 N 5.28 0.00 -3.88 8.88 -0.00 -1.17 -4.95 117.00 121.16 1qtt n LEU 93 Ca -0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.77 1qtt n LEU 93 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.75 1qtt n LEU 93 CO 0.10 0.00 -0.39 -0.32 -0.00 0.00 0.00 177.39 176.77 1qtt s MET 94 N -1.85 0.54 -0.00 1.47 -2.45 -1.26 -1.94 119.30 113.81 1qtt s MET 94 Ca 0.00 -0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.38 1qtt s MET 94 Cb 0.00 -0.60 0.00 0.00 1.25 0.00 0.00 34.83 35.48 1qtt s MET 94 CO 0.00 -0.05 -0.00 0.08 1.05 0.00 0.00 175.02 176.09 1qtt s VAL 95 N 0.69 0.06 -1.65 10.11 1.01 0.46 -4.83 120.40 126.25 1qtt s VAL 95 Ca -0.08 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1qtt s VAL 95 Cb -0.11 -0.08 0.13 0.00 0.00 0.00 0.00 36.38 36.33 1qtt s VAL 95 CO -0.01 0.03 0.82 0.54 0.00 0.00 0.00 175.10 176.49 1qtt n ARG 96 N 3.23 -3.74 -1.29 2.72 1.74 -1.26 0.22 116.66 118.28 1qtt n ARG 96 Ca -0.15 0.43 -0.10 0.00 -0.77 0.00 0.00 57.85 57.26 1qtt n ARG 96 Cb 0.58 -5.17 -0.04 0.00 -1.02 0.00 0.00 32.46 26.81 1qtt n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qtt n GLY 97 N -1.49 1.07 3.33 -0.13 0.00 -1.26 -4.97 105.19 101.73 1qtt n GLY 97 Ca 0.05 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1qtt n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtt s VAL 98 N -2.13 2.46 -0.29 1.61 1.01 0.58 -5.00 120.40 118.64 1qtt s VAL 98 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1qtt s VAL 98 Cb 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1qtt s VAL 98 CO 0.00 0.56 0.33 -1.10 0.00 0.00 0.00 175.10 174.89 1qtt s GLN 99 N -0.13 3.92 -0.39 2.72 -0.21 -1.25 0.18 119.66 124.49 1qtt s GLN 99 Ca -0.03 -0.13 -0.06 0.00 0.02 0.00 0.00 55.36 55.16 1qtt s GLN 99 Cb -0.14 -3.68 0.08 0.00 1.00 0.00 0.00 33.01 30.26 1qtt s GLN 99 CO 0.04 -0.30 0.19 -2.00 -2.12 0.00 0.00 175.29 171.09 1qtt s GLU 100 N 1.99 2.44 -0.24 2.91 2.12 -0.82 0.17 118.70 127.27 1qtt s GLU 100 Ca 0.13 -1.48 -0.10 0.00 0.36 0.00 0.00 54.97 53.88 1qtt s GLU 100 Cb -0.16 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 1qtt s GLU 100 CO 0.11 -0.89 0.14 -1.17 -0.54 0.00 0.00 175.26 172.90 1qtt s LEU 101 N 1.33 3.95 -0.22 2.70 0.20 0.79 -3.03 118.68 124.40 1qtt s LEU 101 Ca 0.02 0.03 -0.12 0.00 0.69 0.00 0.00 54.13 54.75 1qtt s LEU 101 Cb -0.22 -2.06 -0.05 0.00 -0.43 0.00 0.00 46.19 43.43 1qtt s LEU 101 CO 0.00 0.04 0.24 -0.76 -0.29 0.00 0.00 176.35 175.58 1qtt s LEU 102 N 1.21 4.14 -0.16 -0.68 1.43 0.26 0.32 118.68 125.20 1qtt s LEU 102 Ca 0.07 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1qtt s LEU 102 Cb -0.14 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1qtt s LEU 102 CO 0.05 0.03 -0.17 -0.76 0.23 0.00 0.00 176.35 175.73 1qtt s LEU 103 N 1.08 2.37 -0.15 1.79 1.43 -0.90 0.61 118.68 124.92 1qtt s LEU 103 Ca 0.11 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1qtt s LEU 103 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1qtt s LEU 103 CO 0.05 0.07 -0.10 -0.75 0.23 0.00 0.00 176.35 175.85 1qtt s LYS 104 N 0.92 3.42 -0.24 1.70 2.47 0.12 0.11 119.74 128.23 1qtt s LYS 104 Ca -0.04 -0.65 -0.07 0.00 -1.56 0.00 0.00 55.97 53.66 1qtt s LYS 104 Cb -0.15 -2.74 -0.02 0.00 -1.46 0.00 0.00 37.83 33.46 1qtt s LYS 104 CO -0.02 0.14 0.05 -1.17 0.16 0.00 0.00 175.35 174.51 1qtt s LEU 105 N 0.55 3.34 0.12 5.43 2.96 -0.88 0.34 118.68 130.53 1qtt s LEU 105 Ca -0.07 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 1qtt s LEU 105 Cb -0.15 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.59 1qtt s LEU 105 CO 0.03 -0.03 0.41 -0.76 -1.32 0.00 0.00 176.35 174.69 1qtt s LEU 106 N 1.58 4.30 0.10 -0.68 2.01 -1.26 -3.21 118.68 121.51 1qtt s LEU 106 Ca 0.06 0.75 -0.30 0.00 0.01 0.00 0.00 54.13 54.64 1qtt s LEU 106 Cb -0.15 -3.17 -0.06 0.00 0.01 0.00 0.00 46.19 42.82 1qtt s LEU 106 CO 0.02 0.11 1.15 -2.16 1.01 0.00 0.00 176.35 176.48 1qtt s PRO 107 N -2.25 4.49 -1.14 1.29 0.04 -1.26 -4.86 135.00 131.32 1qtt s PRO 107 Ca 0.37 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 62.90 1qtt s PRO 107 Cb -0.13 -3.33 -0.13 0.00 0.04 0.00 0.00 34.50 30.95 1qtt s PRO 107 CO 0.20 -0.13 2.00 0.34 0.04 0.00 0.00 177.00 179.45 1qtt s ASP 108 N 0.67 4.48 0.04 6.66 2.15 -1.26 -4.83 116.67 124.58 1qtt s ASP 108 Ca 0.55 -1.37 0.01 0.00 0.43 0.00 0.00 52.55 52.17 1qtt s ASP 108 Cb -0.29 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.71 1qtt s ASP 108 CO 0.31 -3.65 -0.06 1.51 -0.17 0.00 0.00 175.17 173.11 1qtt s ASP 109 N 7.30 0.64 0.06 -0.34 3.84 -1.26 -5.16 116.67 121.75 1qtt s ASP 109 Ca 0.73 -0.63 0.03 0.00 -0.00 0.00 0.00 52.55 52.68 1qtt s ASP 109 Cb -0.03 0.08 -0.03 0.00 -1.38 0.00 0.00 42.92 41.57 1qtt s ASP 109 CO 0.14 -0.31 -0.08 0.00 -0.00 0.00 0.00 175.17 174.92 1qtt s ARG 110 N -2.04 0.65 0.00 2.11 1.70 -1.26 -5.15 118.95 114.96 1qtt s ARG 110 Ca -0.08 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 1qtt s ARG 110 Cb -0.06 -0.35 0.00 0.00 -0.57 0.00 0.00 34.95 33.96 1qtt s ARG 110 CO -0.02 0.05 0.00 0.45 -1.08 0.00 0.00 175.30 174.71 1qtt n SER 111 N 1.05 0.00 -4.28 -2.89 2.88 -1.26 -5.06 113.62 104.06 1qtt n SER 111 Ca -0.20 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 56.96 1qtt n SER 111 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 1qtt n SER 111 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1qtt n PRO 112 N -0.00 2.33 0.00 -1.46 -0.04 -1.26 -4.86 135.00 129.71 1qtt n PRO 112 Ca 0.00 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1qtt n PRO 112 Cb 0.00 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.02 1qtt n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qtt n GLY 113 N 5.17 0.74 3.09 0.55 0.00 -1.26 -5.09 105.19 108.39 1qtt n GLY 113 Ca 0.48 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.34 1qtt n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qtt s ILE 114 N 0.00 0.69 0.02 -0.61 -1.09 -1.26 -5.16 121.20 113.79 1qtt s ILE 114 Ca 0.00 -1.11 0.01 0.00 -2.23 0.00 0.00 60.65 57.32 1qtt s ILE 114 Cb 0.00 -0.72 -0.01 0.00 -1.58 0.00 0.00 42.46 40.14 1qtt s ILE 114 CO 0.00 -0.32 -0.05 -2.28 -1.23 0.00 0.00 174.94 171.05 1qtt s HIS 115 N -1.31 0.47 0.33 3.97 5.65 -1.26 -5.08 115.29 118.06 1qtt s HIS 115 Ca -0.08 -0.28 0.00 0.00 0.25 0.00 0.00 55.06 54.96 1qtt s HIS 115 Cb -0.10 -0.29 0.00 0.00 -1.18 0.00 0.00 32.58 31.01 1qtt s HIS 115 CO 0.01 -0.05 0.00 -2.13 -0.65 0.00 0.00 174.74 171.91 1qtt n ARG 116 N 2.27 -2.80 0.00 2.88 0.00 -1.26 -5.34 116.66 112.41 1qtt n ARG 116 Ca -0.18 2.09 0.00 0.00 -0.00 0.00 0.00 57.85 59.77 1qtt n ARG 116 Cb 0.57 -2.38 0.00 0.00 0.00 0.00 0.00 32.46 30.65 1qtt n ARG 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16